(3Z,8Z)-13-azabicyclo[10.1.0]trideca-3,8-diene
Formula:C12H19N
Mutagenic:low
Tumorigenic:low
Reproductive Effective:high
(3Z,8Z)-13-azabicyclo[10.1.0]trideca-3,8-diene is a drug-like molecule.
| MolName | (3Z,8Z)-13-azabicyclo[10.1.0]trideca-3,8-diene |
| MolecularFormula | C12H19N |
| Smiles | C1C/C=C\CC2NC2CC/C=C\C1 |
| InChI | InChI=1S/C12H19N/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h3,5-6,8,11-13H,1-2,4,7,9-10H2 |
| InChIK | UIYNAADRNXBQOX-UHFFFAOYSA-N |
| TotalMolweight | 177.29 |
| Molweight | 177.29 |
| MonoisotopicMass | 177.151749 |
| CLogP | 3.4303 |
| CLogS | -2.861 |
| H Acceptors | 1 |
| H Donors | 1 |
| TotalSurfaceArea | 168.68 |
| Relative PSA | 0.12817 |
| PolarSurfaceArea | 21.94 |
| Druglikeness | -6.3433 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | oxiran/aziridine |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 2 |
| Rings Closures | 2 |
| Small Rings | 1 |
| Sp3Atoms | 9 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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